sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Å
NMR
2010-08-03
| Name: | Troponin C, slow skeletal and cardiac muscles |
|---|---|
| ID: | TNNC1_HUMAN |
| AC: | P63316 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 77 % |
| B | 23 % |
| B-Factor: | 0.000 |
|---|---|
| Number of residues: | 22 |
| Including | |
| Standard Amino Acids: | 22 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.952 | 391.500 |
| % Hydrophobic | % Polar |
|---|---|
| 67.24 | 32.76 |
| According to VolSite | |
| HET Code: | SXK |
|---|---|
| Formula: | C14H9F2O3 |
| Molecular weight: | 263.216 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 60.13 % |
| Polar Surface area: | 49.36 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 0 |
| Rings: | 2 |
| Aromatic rings: | 2 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 4 |
| X | Y | Z |
|---|---|---|
| 57.7994 | 5.03153 | -1.712 |
Image generated by PoseView
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
| Ligand | Protein | Interaction | |||
|---|---|---|---|---|---|
| Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
| FCC | CZ | PHE- 27 | 3.22 | 0 | Hydrophobic |
| FCC | CG2 | ILE- 36 | 4.02 | 0 | Hydrophobic |
| FDD | CD2 | LEU- 41 | 3.69 | 0 | Hydrophobic |
| CAK | CD1 | LEU- 41 | 3.4 | 0 | Hydrophobic |
| CAQ | SD | MET- 60 | 4.32 | 0 | Hydrophobic |
| FDD | CG | MET- 60 | 3.53 | 0 | Hydrophobic |
| CAH | SD | MET- 60 | 3.64 | 0 | Hydrophobic |
| FCC | CE1 | PHE- 77 | 3.71 | 0 | Hydrophobic |
| CAR | SD | MET- 80 | 4.07 | 0 | Hydrophobic |
| FDD | SD | MET- 80 | 4.11 | 0 | Hydrophobic |
| CAI | CG | MET- 80 | 3.48 | 0 | Hydrophobic |
| CAQ | CE | MET- 80 | 3.6 | 0 | Hydrophobic |
| CAE | CE | MET- 81 | 4.5 | 0 | Hydrophobic |
| OAB | NH1 | ARG- 83 | 3.13 | 120.72 | H-Bond (Protein Donor) |
| OAB | NH2 | ARG- 83 | 2.98 | 123.61 | H-Bond (Protein Donor) |
| OAB | CZ | ARG- 83 | 3.38 | 0 | Ionic (Protein Cationic) |
| CAG | SG | CYS- 84 | 3.98 | 0 | Hydrophobic |
| CAP | CB | ILE- 148 | 4.48 | 0 | Hydrophobic |
| CAR | CB | ILE- 148 | 4.02 | 0 | Hydrophobic |
| CAH | CD1 | ILE- 148 | 3.52 | 0 | Hydrophobic |
| CAJ | CG2 | ILE- 148 | 3.74 | 0 | Hydrophobic |
| CAE | CE | MET- 153 | 3.68 | 0 | Hydrophobic |
| CAE | CE | MET- 153 | 3.68 | 0 | Hydrophobic |
